| CAS Number | 1094225-67-8 |
| Catalog Number | AG019XNW(AGN-PC-0WO0PB) |
| Chemical Name | (7-bromo-1,3-dioxaindan-5-yl)methanamine |
| IUPAC Name | (7-bromo-1,3-benzodioxol-5-yl)methanamine |
| InChI | InChI=1S/C8H8BrNO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4,10H2 |
| InChI Key | ZIQQORINAWIECM-UHFFFAOYSA-N |
| MDL Number | MFCD11182119 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | NCC1=CC(Br)=C2C(OCO2)=C1 |
| Synonyms | (7-bromo-2H-1,3-benzodioxol-5-yl)methanamine,
1094225-67-8,
AC1Q53UE,
CTK7E4010,
ZINC36897249,
AKOS008122364,
MCULE-8884598857,
NE29953,
EN300-55502,
Z1222331435,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number